6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C25H29N5 — CID 174469023

IUPAC6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)Cc1cccc(-c2cc3c(NC(C)c4ccccc4)ncnc3[nH]2)c1
InChIInChI=1S/C25H29N5/c1-4-30(5-2)16-19-10-9-13-21(14-19)23-15-22-24(26-17-27-25(22)29-23)28-18(3)20-11-7-6-8-12-20/h6-15,17-18H,4-5,16H2,1-3H3,(H2,26,27,28,29)
InChIKeyVZCZFEMBBYYAGU-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.64
Rot. Bonds8

About 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174469023) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174469023
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)Cc1cccc(-c2cc3c(NC(C)c4ccccc4)ncnc3[nH]2)c1
InChIInChI=1S/C25H29N5/c1-4-30(5-2)16-19-10-9-13-21(14-19)23-15-22-24(26-17-27-25(22)29-23)28-18(3)20-11-7-6-8-12-20/h6-15,17-18H,4-5,16H2,1-3H3,(H2,26,27,28,29)
InChIKeyVZCZFEMBBYYAGU-UHFFFAOYSA-N
XLogP5.64
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10155284
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrobromide
CID 57401512
6-[4-(2-aminoethoxy)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69235426
N-(1-phenylethyl)-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174456325
2-[[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]acetic acid
CID 69235434
N-ethyl-N-[[3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]ethanamine
CID 141061988
N-(1-phenylethyl)-6-[4-(piperazin-1-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69232929
6-[4-(morpholin-4-ylmethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 85331374
6-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-phenyl-4-N-[(1S)-1-phenylethyl]-2-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 143080943
methyl 4-[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenoxy]butanoate
CID 69234366
2-[4-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethanol
CID 59756713
N-hydroxy-4-[[[4-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methylamino]methyl]benzamide
CID 72553944

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 174469023) is 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCN(CC)Cc1cccc(-c2cc3c(NC(C)c4ccccc4)ncnc3[nH]2)c1.
What is the InChIKey of 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VZCZFEMBBYYAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-4-30(5-2)16-19-10-9-13-21(14-19)23-15-22-24(26-17-27-25(22)29-23)28-18(3)20-11-7-6-8-12-20/h6-15,17-18H,4-5,16H2,1-3H3,(H2,26,27,28,29).
What are the key properties of 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 399.54 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174469023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).